6-[2-(3-fluoro-4-methylcyclohexyl)ethyl]-3-methyl-3,6-dihydro-2H-pyran

C15H25FO — CID 166933991

IUPAC6-[2-(3-fluoro-4-methylcyclohexyl)ethyl]-3-methyl-3,6-dihydro-2H-pyran
SMILESCC1C=CC(CCC2CCC(C)C(F)C2)OC1
InChIInChI=1S/C15H25FO/c1-11-3-7-14(17-10-11)8-6-13-5-4-12(2)15(16)9-13/h3,7,11-15H,4-6,8-10H2,1-2H3
InChIKeyHRXWMVBNGWXLLS-UHFFFAOYSA-N
MW240.36 g/mol
LogP4.13
Rot. Bonds3

About 6-[2-(3-fluoro-4-methylcyclohexyl)ethyl]-3-methyl-3,6-dihydro-2H-pyran

6-[2-(3-fluoro-4-methylcyclohexyl)ethyl]-3-methyl-3,6-dihydro-2H-pyran (PubChem CID 166933991) has the molecular formula C15H25FO and a molecular weight of 240.36 g/mol. Its IUPAC name is 6-[2-(3-fluoro-4-methylcyclohexyl)ethyl]-3-methyl-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name6-[2-(3-fluoro-4-methylcyclohexyl)ethyl]-3-methyl-3,6-dihydro-2H-pyran
PubChem CID166933991
Molecular FormulaC15H25FO
Molecular Weight240.36 g/mol
Exact Mass240.19
IUPAC Name6-[2-(3-fluoro-4-methylcyclohexyl)ethyl]-3-methyl-3,6-dihydro-2H-pyran
SMILESCC1C=CC(CCC2CCC(C)C(F)C2)OC1
InChIInChI=1S/C15H25FO/c1-11-3-7-14(17-10-11)8-6-13-5-4-12(2)15(16)9-13/h3,7,11-15H,4-6,8-10H2,1-2H3
InChIKeyHRXWMVBNGWXLLS-UHFFFAOYSA-N
XLogP4.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.36
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-fluoro-4-methylcyclohexyl)ethyl]-3-methyl-3,6-dihydro-2H-pyran?
The IUPAC name of 6-[2-(3-fluoro-4-methylcyclohexyl)ethyl]-3-methyl-3,6-dihydro-2H-pyran (CID 166933991) is 6-[2-(3-fluoro-4-methylcyclohexyl)ethyl]-3-methyl-3,6-dihydro-2H-pyran.
What is the SMILES notation for 6-[2-(3-fluoro-4-methylcyclohexyl)ethyl]-3-methyl-3,6-dihydro-2H-pyran?
The canonical SMILES for 6-[2-(3-fluoro-4-methylcyclohexyl)ethyl]-3-methyl-3,6-dihydro-2H-pyran is CC1C=CC(CCC2CCC(C)C(F)C2)OC1.
What is the InChIKey of 6-[2-(3-fluoro-4-methylcyclohexyl)ethyl]-3-methyl-3,6-dihydro-2H-pyran?
The InChIKey is HRXWMVBNGWXLLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FO/c1-11-3-7-14(17-10-11)8-6-13-5-4-12(2)15(16)9-13/h3,7,11-15H,4-6,8-10H2,1-2H3.
What are the key properties of 6-[2-(3-fluoro-4-methylcyclohexyl)ethyl]-3-methyl-3,6-dihydro-2H-pyran?
6-[2-(3-fluoro-4-methylcyclohexyl)ethyl]-3-methyl-3,6-dihydro-2H-pyran has a molecular weight of 240.36 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3-fluoro-4-methylcyclohexyl)ethyl]-3-methyl-3,6-dihydro-2H-pyran is sourced from PubChem (CID 166933991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).